(Z)-2-(3-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile

Formula:C19H11N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-(3-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(3-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C19H11N3O5
Smiles	N#C/C(/c1cc([N+]([O-])=O)ccc1)=C\c1ccc(-c2cccc([N+]([O-])=O)c2)o1
InChI	InChI=1S/C19H11N3O5/c20-12-15(13-3-1-5-16(9-13)21(23)24)11-18-7-8-19(27-18)14-4-2-6-17(10-14)22(25)26/h1-11H
InChIK	BLQVXDANRBUFMK-UHFFFAOYSA-N
TotalMolweight	361.312
Molweight	361.312
MonoisotopicMass	361.069872
CLogP	2.4283
CLogS	-6.009
H Acceptors	8
TotalSurfaceArea	276.23
Relative PSA	0.32042
PolarSurfaceArea	128.57
Druglikeness	-8.6596
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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